[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate

C22H20N6O2 — CID 10644671

IUPAC[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate
SMILESCc1nc2c(C)nn(-c3ccccc3)c2nc(C)/c1=N\OC(=O)Nc1ccccc1
InChIInChI=1S/C22H20N6O2/c1-14-19(27-30-22(29)25-17-10-6-4-7-11-17)15(2)24-21-20(23-14)16(3)26-28(21)18-12-8-5-9-13-18/h4-13H,1-3H3,(H,25,29)/b27-19-
InChIKeyFSFASBBUJXHOSI-DIBXZPPDSA-N
MW400.44 g/mol
LogP3.81
Rot. Bonds3

About [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate

[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate (PubChem CID 10644671) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate
PubChem CID10644671
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate
SMILESCc1nc2c(C)nn(-c3ccccc3)c2nc(C)/c1=N\OC(=O)Nc1ccccc1
InChIInChI=1S/C22H20N6O2/c1-14-19(27-30-22(29)25-17-10-6-4-7-11-17)15(2)24-21-20(23-14)16(3)26-28(21)18-12-8-5-9-13-18/h4-13H,1-3H3,(H,25,29)/b27-19-
InChIKeyFSFASBBUJXHOSI-DIBXZPPDSA-N
XLogP3.81
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] N-phenylcarbamate
CID 18833316
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
CID 13381785
ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
CID 13290921
2-[(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)amino]ethanol
CID 13290926
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate?
The IUPAC name of [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate (CID 10644671) is [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate.
What is the SMILES notation for [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate?
The canonical SMILES for [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate is Cc1nc2c(C)nn(-c3ccccc3)c2nc(C)/c1=N\OC(=O)Nc1ccccc1.
What is the InChIKey of [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate?
The InChIKey is FSFASBBUJXHOSI-DIBXZPPDSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-19(27-30-22(29)25-17-10-6-4-7-11-17)15(2)24-21-20(23-14)16(3)26-28(21)18-12-8-5-9-13-18/h4-13H,1-3H3,(H,25,29)/b27-19-.
What are the key properties of [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate?
[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate has a molecular weight of 400.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate is sourced from PubChem (CID 10644671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).